2-[(3-fluorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
2-[(3-fluorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
2-[(3-fluorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | S894-0560 |
| Compound Name: | 2-[(3-fluorophenyl)methyl]-N-[3-(morpholin-4-yl)propyl]-3-oxo-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C22 H30 F N5 O3 |
| Smiles: | C1CCC2=NN(Cc3cccc(c3)F)C(N2C(C1)C(NCCCN1CCOCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5473 |
| logD: | 1.1238 |
| logSw: | -1.9861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.366 |
| InChI Key: | QMYHWAJUHLWXEA-IBGZPJMESA-N |